1-(3-Tert-Butyl-1-Phenyl-1H-Pyrazol-5-Yl)-3-(2,3-Dichlorophenyl)Urea

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Properties Simple | Detailed

Formula C20H20Cl2N4O
IUPAC Name 1-(5-tert-butyl-2-phenyl-4h-pyrazol-2-ium-4-id-3-yl)-3-(2,3-dichlorophenyl)urea
Molecular Mass 403.305 g·mol−1
Heat of Formation 98.6 ± 16.7 kJ·mol−1
Dipole Moment 2.72 ± 1.08 D
Volume 455.53 Å 3
Surface Area 408.01 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 2.28 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(5-tert-butyl-2-phenyl-3-pyrazolyl)-3-(2,3-dichlorophenyl)urea
  • 1-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-(2,3-dichlorophenyl)urea
  • 1-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-(2,3-dichlorophenyl)urea
  • 1pp
InChIKey ZFJZXGAFKPFNSG-UHFFFAOYSA-N
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Elements H C Cl O N